Chemical Properties of 1-Naphthaleneacetic acid, tridec-2-yn-1-yl ester

InChI

InChI=1S/C25H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-20-27-25(26)21-23-18-15-17-22-16-12-13-19-24(22)23/h12-13,15-19H,2-10,20-21H2,1H3

InChI Key

RROHAZYDKAJJDE-UHFFFAOYSA-N

Formula

C25H32O2

SMILES

CCCCCCCCCCC#CCOC(=O)Cc1cccc2ccccc12

Molecular Weight¹

364.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	337.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-115.70	kJ/mol	Joback Calculated Property
ΔfusH°	57.09	kJ/mol	Joback Calculated Property
ΔvapH°	87.13	kJ/mol	Joback Calculated Property
log10WS	-8.18		Crippen Calculated Property
logPoct/wat	6.460		Crippen Calculated Property
McVol	318.730	ml/mol	McGowan Calculated Property
Pc	1230.28	kPa	Joback Calculated Property
Inp	[1565.00; 1565.00]
Inp	1565.00		NIST
Inp	1565.00		NIST
Tboil	907.33	K	Joback Calculated Property
Tc	1124.99	K	Joback Calculated Property
Tfus	621.41	K	Joback Calculated Property
Vc	1.236	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1001.36; 1089.82]	J/mol×K	[907.33; 1124.99]
Cp,gas	1001.36	J/mol×K	907.33	Joback Calculated Property
Cp,gas	1018.55	J/mol×K	943.61	Joback Calculated Property
Cp,gas	1034.66	J/mol×K	979.88	Joback Calculated Property
Cp,gas	1049.76	J/mol×K	1016.16	Joback Calculated Property
Cp,gas	1063.93	J/mol×K	1052.44	Joback Calculated Property
Cp,gas	1077.25	J/mol×K	1088.71	Joback Calculated Property
Cp,gas	1089.82	J/mol×K	1124.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, tridec-2-yn-1-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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